Compile Data Set for Download or QSAR

Found 593 hits with Last Name = 'fitzek' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070262 (CHEMBL3408270 | US9718800, 9.02b) Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCO[C@@H](C)C1)C(=O)N(C)C |r| Show InChI InChI=1S/C25H27F2N3O4/c1-14-13-30(5-6-33-14)23-12-22(31)21-8-16(25(32)29(3)4)7-20(24(21)34-23)15(2)28-19-10-17(26)9-18(27)11-19/h7-12,14-15,28H,5-6,13H2,1-4H3/t14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7657 (4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...) Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1 Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 21: 4698-701 (2011) Article DOI: 10.1016/j.bmcl.2011.06.093 BindingDB Entry DOI: 10.7270/Q2GF0TVK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070324 (CHEMBL3408252) Show SMILES C[C@@H](Nc1cc(F)cc(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C24H25ClFN3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239117 (CHEMBL4060768) Show SMILES Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H29F2N3O5/c29-19-14-20(30)16-21(15-19)33-3-1-2-24(33)22-12-18(28(35)32-6-10-37-11-7-32)13-23-25(34)17-26(38-27(22)23)31-4-8-36-9-5-31/h12-17,24H,1-11H2/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239123 (CHEMBL4078233) Show SMILES CN(C)C(=O)c1cc([C@H]2CCCN2c2cccc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1 |r| Show InChI InChI=1S/C26H28FN3O4/c1-28(2)26(32)17-13-20(22-7-4-8-30(22)19-6-3-5-18(27)15-19)25-21(14-17)23(31)16-24(34-25)29-9-11-33-12-10-29/h3,5-6,13-16,22H,4,7-12H2,1-2H3/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239122 (CHEMBL4094771) Show SMILES CN(C)C(=O)c1cc(C2CCCN2c2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1 Show InChI InChI=1S/C26H27F2N3O4/c1-29(2)26(33)16-10-20(22-4-3-5-31(22)19-13-17(27)12-18(28)14-19)25-21(11-16)23(32)15-24(35-25)30-6-8-34-9-7-30/h10-15,22H,3-9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239120 (CHEMBL4101005) Show SMILES Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CC1 |r| Show InChI InChI=1S/C26H25F2N3O4/c27-17-12-18(28)14-19(13-17)31-3-1-2-22(31)20-10-16(26(33)30-4-5-30)11-21-23(32)15-24(35-25(20)21)29-6-8-34-9-7-29/h10-15,22H,1-9H2/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50500920 (CHEMBL3798914) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cccc34)c2o1)C(=O)N(C)C |r| Show InChI InChI=1S/C26H28FN3O5/c1-16-14-30(8-9-33-16)23-13-22(31)19-12-17(26(32)28(2)3)11-18(24(19)35-23)15-29-7-10-34-25-20(27)5-4-6-21(25)29/h4-6,11-13,16H,7-10,14-15H2,1-3H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...				Bioorg Med Chem Lett 26: 2318-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.034 BindingDB Entry DOI: 10.7270/Q2W098ZZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM119283 (US8673906, 4.02 | US9718800, 4.02) Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCCC1 Show InChI InChI=1S/C26H27F2N3O4/c1-16(29-20-13-18(27)12-19(28)14-20)21-10-17(26(33)31-4-2-3-5-31)11-22-23(32)15-24(35-25(21)22)30-6-8-34-9-7-30/h10-16,29H,2-9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239126 (CHEMBL4067312) Show SMILES CN(CCO)C(=O)c1cc(C2CCCN2c2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1 Show InChI InChI=1S/C27H29F2N3O5/c1-30(5-8-33)27(35)17-11-21(23-3-2-4-32(23)20-14-18(28)13-19(29)15-20)26-22(12-17)24(34)16-25(37-26)31-6-9-36-10-7-31/h11-16,23,33H,2-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50500917 (CHEMBL3797698) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN(C)c3cc(F)cc(F)c3)c2o1)C(=O)N(C)C |r| Show InChI InChI=1S/C25H27F2N3O4/c1-15-13-30(5-6-33-15)23-12-22(31)21-8-16(25(32)28(2)3)7-17(24(21)34-23)14-29(4)20-10-18(26)9-19(27)11-20/h7-12,15H,5-6,13-14H2,1-4H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...				Bioorg Med Chem Lett 26: 2318-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.034 BindingDB Entry DOI: 10.7270/Q2W098ZZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048722 (CHEMBL3319646) Show SMILES CC(Nc1cccc(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C Show InChI InChI=1S/C25H31FN6O3/c1-17(28-20-6-4-5-19(26)14-20)21-13-18(25(34)27-7-8-30(2)3)16-32-23(33)15-22(29-24(21)32)31-9-11-35-12-10-31/h4-6,13-17,28H,7-12H2,1-3H3,(H,27,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070327 (CHEMBL3408262) Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC1 |r| Show InChI InChI=1S/C25H25F2N3O4/c1-15(28-19-12-17(26)11-18(27)13-19)20-9-16(25(32)30-3-2-4-30)10-21-22(31)14-23(34-24(20)21)29-5-7-33-8-6-29/h9-15,28H,2-8H2,1H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239121 (CHEMBL4082650) Show SMILES CN1CCN(CC1)C(=O)c1cc([C@H]2CCCN2c2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1 |r| Show InChI InChI=1S/C29H32F2N4O4/c1-32-5-7-34(8-6-32)29(37)19-13-23(25-3-2-4-35(25)22-16-20(30)15-21(31)17-22)28-24(14-19)26(36)18-27(39-28)33-9-11-38-12-10-33/h13-18,25H,2-12H2,1H3/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239118 (CHEMBL4090811) Show SMILES Fc1cccc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H30FN3O5/c29-20-3-1-4-21(17-20)32-6-2-5-24(32)22-15-19(28(34)31-9-13-36-14-10-31)16-23-25(33)18-26(37-27(22)23)30-7-11-35-12-8-30/h1,3-4,15-18,24H,2,5-14H2/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50500918 (CHEMBL3799511) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4ccc(F)cc34)c2o1)C(=O)N(C)C |r| Show InChI InChI=1S/C26H28FN3O5/c1-16-14-30(7-8-33-16)24-13-22(31)20-11-17(26(32)28(2)3)10-18(25(20)35-24)15-29-6-9-34-23-5-4-19(27)12-21(23)29/h4-5,10-13,16H,6-9,14-15H2,1-3H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...				Bioorg Med Chem Lett 26: 2318-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.034 BindingDB Entry DOI: 10.7270/Q2W098ZZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50500922 (CHEMBL3797812) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cc(F)cc34)c2o1)C(=O)N(C)C |r| Show InChI InChI=1S/C26H27F2N3O5/c1-15-13-31(5-6-34-15)23-12-22(32)19-9-16(26(33)29(2)3)8-17(24(19)36-23)14-30-4-7-35-25-20(28)10-18(27)11-21(25)30/h8-12,15H,4-7,13-14H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...				Bioorg Med Chem Lett 26: 2318-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.034 BindingDB Entry DOI: 10.7270/Q2W098ZZ
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50349773 (CHEMBL1809194) Show SMILES COc1cc(ccc1Nc1ncc(Br)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H24BrN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IGF1R				Bioorg Med Chem Lett 21: 4698-701 (2011) Article DOI: 10.1016/j.bmcl.2011.06.093 BindingDB Entry DOI: 10.7270/Q2GF0TVK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239125 (CHEMBL4083021) Show SMILES OC1CCN(CC1)C(=O)c1cc(C2CCCN2c2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1 Show InChI InChI=1S/C29H31F2N3O5/c30-19-14-20(31)16-21(15-19)34-5-1-2-25(34)23-12-18(29(37)33-6-3-22(35)4-7-33)13-24-26(36)17-27(39-28(23)24)32-8-10-38-11-9-32/h12-17,22,25,35H,1-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048713 (CHEMBL3319490) Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C23H25F2N5O3/c1-14(26-18-10-16(24)9-17(25)11-18)19-8-15(23(32)28(2)3)13-30-21(31)12-20(27-22(19)30)29-4-6-33-7-5-29/h8-14,26H,4-7H2,1-3H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070210 (CHEMBL3408267) Show SMILES CNC(=O)c1cc([C@@H](C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1 |r| Show InChI InChI=1S/C23H23F2N3O4/c1-13(27-17-10-15(24)9-16(25)11-17)18-7-14(23(30)26-2)8-19-20(29)12-21(32-22(18)19)28-3-5-31-6-4-28/h7-13,27H,3-6H2,1-2H3,(H,26,30)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070322 (CHEMBL3408248 | US9718800, 3.06b) Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239127 (CHEMBL4086125) Show SMILES CN(C)C(=O)c1cc(C2CCCN2c2ccccc2)c2oc(cc(=O)c2c1)N1CCOCC1 Show InChI InChI=1S/C26H29N3O4/c1-27(2)26(31)18-15-20(22-9-6-10-29(22)19-7-4-3-5-8-19)25-21(16-18)23(30)17-24(33-25)28-11-13-32-14-12-28/h3-5,7-8,15-17,22H,6,9-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239124 (CHEMBL4102511) Show SMILES CN(C)C(=O)c1cc([C@H]2CCCN2c2ccc(F)cc2)c2oc(cc(=O)c2c1)N1CCOCC1 |r| Show InChI InChI=1S/C26H28FN3O4/c1-28(2)26(32)17-14-20(22-4-3-9-30(22)19-7-5-18(27)6-8-19)25-21(15-17)23(31)16-24(34-25)29-10-12-33-13-11-29/h5-8,14-16,22H,3-4,9-13H2,1-2H3/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070327 (CHEMBL3408262) Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC1 |r| Show InChI InChI=1S/C25H25F2N3O4/c1-15(28-19-12-17(26)11-18(27)13-19)20-9-16(25(32)30-3-2-4-30)10-21-22(31)14-23(34-24(20)21)29-5-7-33-8-6-29/h9-15,28H,2-8H2,1H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50500924 (CHEMBL3799158) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cccc34)c2o1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H30FN3O6/c1-18-16-32(8-11-36-18)25-15-24(33)21-14-19(28(34)30-5-9-35-10-6-30)13-20(26(21)38-25)17-31-7-12-37-27-22(29)3-2-4-23(27)31/h2-4,13-15,18H,5-12,16-17H2,1H3/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...				Bioorg Med Chem Lett 26: 2318-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.034 BindingDB Entry DOI: 10.7270/Q2W098ZZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070262 (CHEMBL3408270 | US9718800, 9.02b) Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCO[C@@H](C)C1)C(=O)N(C)C |r| Show InChI InChI=1S/C25H27F2N3O4/c1-14-13-30(5-6-33-14)23-12-22(31)21-8-16(25(32)29(3)4)7-20(24(21)34-23)15(2)28-19-10-17(26)9-18(27)11-19/h7-12,14-15,28H,5-6,13H2,1-4H3/t14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070322 (CHEMBL3408248 | US9718800, 3.06b) Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048710 (CHEMBL3319485) Show SMILES CC(Nc1cccc(Cl)c1F)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C Show InChI InChI=1S/C25H30ClFN6O3/c1-16(29-20-6-4-5-19(26)23(20)27)18-13-17(25(35)28-7-8-31(2)3)15-33-22(34)14-21(30-24(18)33)32-9-11-36-12-10-32/h4-6,13-16,29H,7-12H2,1-3H3,(H,28,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239119 (CHEMBL4062879) Show SMILES Fc1ccc(cc1)N1CCCC1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H30FN3O5/c29-20-3-5-21(6-4-20)32-7-1-2-24(32)22-16-19(28(34)31-10-14-36-15-11-31)17-23-25(33)18-26(37-27(22)23)30-8-12-35-13-9-30/h3-6,16-18,24H,1-2,7-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50500929 (CHEMBL3800231) Show SMILES COCCN(Cc1cc(cc2c1oc(cc2=O)N1CCO[C@H](C)C1)C(=O)N(C)C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C27H31F2N3O5/c1-17-15-32(6-8-36-17)25-14-24(33)23-10-18(27(34)30(2)3)9-19(26(23)37-25)16-31(5-7-35-4)22-12-20(28)11-21(29)13-22/h9-14,17H,5-8,15-16H2,1-4H3/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...				Bioorg Med Chem Lett 26: 2318-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.034 BindingDB Entry DOI: 10.7270/Q2W098ZZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50253249 (CHEMBL4093351) Show SMILES CN1CCC(CC1)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1 Show InChI InChI=1S/C21H25N9/c1-13-17(15-12-23-16-6-4-5-9-30(15)16)25-18(19(22)24-13)21-26-20(27-29(21)3)14-7-10-28(2)11-8-14/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H2,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				Bioorg Med Chem Lett 27: 3030-3035 (2017) Article DOI: 10.1016/j.bmcl.2017.05.028 BindingDB Entry DOI: 10.7270/Q23R0W9X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50500917 (CHEMBL3797698) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN(C)c3cc(F)cc(F)c3)c2o1)C(=O)N(C)C |r| Show InChI InChI=1S/C25H27F2N3O4/c1-15-13-30(5-6-33-15)23-12-22(31)21-8-16(25(32)28(2)3)7-17(24(21)34-23)14-29(4)20-10-18(26)9-19(27)11-20/h7-12,15H,5-6,13-14H2,1-4H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kalpha using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by l...				Bioorg Med Chem Lett 26: 2318-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.034 BindingDB Entry DOI: 10.7270/Q2W098ZZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048713 (CHEMBL3319490) Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C23H25F2N5O3/c1-14(26-18-10-16(24)9-17(25)11-18)19-8-15(23(32)28(2)3)13-30-21(31)12-20(27-22(19)30)29-4-6-33-7-5-29/h8-14,26H,4-7H2,1-3H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta assessed as depletion of ATP substrate by Ultra Glo luciferase assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070324 (CHEMBL3408252) Show SMILES C[C@@H](Nc1cc(F)cc(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C24H25ClFN3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070323 (CHEMBL3408250 | US9718800, 3.04b) Show SMILES C[C@@H](Nc1cccc(Cl)c1F)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C24H25ClFN3O4/c1-14(27-19-6-4-5-18(25)22(19)26)16-11-15(24(31)28(2)3)12-17-20(30)13-21(33-23(16)17)29-7-9-32-10-8-29/h4-6,11-14,27H,7-10H2,1-3H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070325 (CHEMBL3408256) Show SMILES C[C@@H](Nc1cc(F)c(F)c(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C24H24F3N3O4/c1-13(28-15-10-18(25)22(27)19(26)11-15)16-8-14(24(32)29(2)3)9-17-20(31)12-21(34-23(16)17)30-4-6-33-7-5-30/h8-13,28H,4-7H2,1-3H3/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239118 (CHEMBL4090811) Show SMILES Fc1cccc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H30FN3O5/c29-20-3-1-4-21(17-20)32-6-2-5-24(32)22-15-19(28(34)31-9-13-36-14-10-31)16-23-25(33)18-26(37-27(22)23)30-7-11-35-12-8-30/h1,3-4,15-18,24H,2,5-14H2/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50500915 (CHEMBL3797750) Show SMILES CN(C)C(=O)c1cc(CN2CCOc3c(F)cc(F)cc23)c2oc(cc(=O)c2c1)N1CCOCC1 Show InChI InChI=1S/C25H25F2N3O5/c1-28(2)25(32)15-9-16(14-30-5-8-34-24-19(27)11-17(26)12-20(24)30)23-18(10-15)21(31)13-22(35-23)29-3-6-33-7-4-29/h9-13H,3-8,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by lu...				Bioorg Med Chem Lett 26: 2318-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.034 BindingDB Entry DOI: 10.7270/Q2W098ZZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50500920 (CHEMBL3798914) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cccc34)c2o1)C(=O)N(C)C |r| Show InChI InChI=1S/C26H28FN3O5/c1-16-14-30(8-9-33-16)23-13-22(31)19-12-17(26(32)28(2)3)11-18(24(19)35-23)15-29-7-10-34-25-20(27)5-4-6-21(25)29/h4-6,11-13,16H,7-10,14-15H2,1-3H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kalpha using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by l...				Bioorg Med Chem Lett 26: 2318-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.034 BindingDB Entry DOI: 10.7270/Q2W098ZZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070326 (CHEMBL3408257 | US9718800, 3.13b) Show SMILES C[C@@H](Nc1cc(F)cc(F)c1F)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C24H24F3N3O4/c1-13(28-19-11-15(25)10-18(26)22(19)27)16-8-14(24(32)29(2)3)9-17-20(31)12-21(34-23(16)17)30-4-6-33-7-5-30/h8-13,28H,4-7H2,1-3H3/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50253251 (CHEMBL4072637) Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1 Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				Bioorg Med Chem Lett 27: 3030-3035 (2017) Article DOI: 10.1016/j.bmcl.2017.05.028 BindingDB Entry DOI: 10.7270/Q23R0W9X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50500922 (CHEMBL3797812) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cc(F)cc34)c2o1)C(=O)N(C)C |r| Show InChI InChI=1S/C26H27F2N3O5/c1-15-13-31(5-6-34-15)23-12-22(32)19-9-16(26(33)29(2)3)8-17(24(19)36-23)14-30-4-7-35-25-20(28)10-18(27)11-21(25)30/h8-12,15H,4-7,13-14H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by lu...				Bioorg Med Chem Lett 26: 2318-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.034 BindingDB Entry DOI: 10.7270/Q2W098ZZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070210 (CHEMBL3408267) Show SMILES CNC(=O)c1cc([C@@H](C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1 |r| Show InChI InChI=1S/C23H23F2N3O4/c1-13(27-17-10-15(24)9-16(25)11-17)18-7-14(23(30)26-2)8-19-20(29)12-21(32-22(18)19)28-3-5-31-6-4-28/h7-13,27H,3-6H2,1-2H3,(H,26,30)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50500925 (CHEMBL3799673) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cc(F)cc34)c2o1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H29F2N3O6/c1-17-15-33(5-8-37-17)25-14-24(34)21-11-18(28(35)31-2-6-36-7-3-31)10-19(26(21)39-25)16-32-4-9-38-27-22(30)12-20(29)13-23(27)32/h10-14,17H,2-9,15-16H2,1H3/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...				Bioorg Med Chem Lett 26: 2318-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.034 BindingDB Entry DOI: 10.7270/Q2W098ZZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50094479 (CHEMBL3590225) Show SMILES CN(C)CC(=O)N1CCC(CC1)c1cc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1 Show InChI InChI=1S/C23H28N10O/c1-30(2)14-21(34)32-10-8-15(9-11-32)17-12-20(31(3)28-17)18-13-25-22(24)23(26-18)33-19-7-5-4-6-16(19)27-29-33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3Kalpha using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ...				Bioorg Med Chem Lett 25: 2679-85 (2015) Article DOI: 10.1016/j.bmcl.2015.04.084 BindingDB Entry DOI: 10.7270/Q2QJ7K1S
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50070318 (CHEMBL3408277 | US9718800, 7.0b) Show SMILES C[C@@H](N(C)c1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO |r| Show InChI InChI=1S/C26H29F2N3O5/c1-16(30(3)20-13-18(27)12-19(28)14-20)21-10-17(26(34)29(2)4-7-32)11-22-23(33)15-24(36-25(21)22)31-5-8-35-9-6-31/h10-16,32H,4-9H2,1-3H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay				J Med Chem 58: 943-62 (2015) Article DOI: 10.1021/jm501629p BindingDB Entry DOI: 10.7270/Q2VT1TS8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239118 (CHEMBL4090811) Show SMILES Fc1cccc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H30FN3O5/c29-20-3-1-4-21(17-20)32-6-2-5-24(32)22-15-19(28(34)31-9-13-36-14-10-31)16-23-25(33)18-26(37-27(22)23)30-7-11-35-12-8-30/h1,3-4,15-18,24H,2,5-14H2/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in pr...				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239124 (CHEMBL4102511) Show SMILES CN(C)C(=O)c1cc([C@H]2CCCN2c2ccc(F)cc2)c2oc(cc(=O)c2c1)N1CCOCC1 |r| Show InChI InChI=1S/C26H28FN3O4/c1-28(2)26(32)17-14-20(22-4-3-9-30(22)19-7-5-18(27)6-8-19)25-21(15-17)23(31)16-24(34-25)29-10-12-33-13-11-29/h5-8,14-16,22H,3-4,9-13H2,1-2H3/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in pr...				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50500918 (CHEMBL3799511) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4ccc(F)cc34)c2o1)C(=O)N(C)C |r| Show InChI InChI=1S/C26H28FN3O5/c1-16-14-30(7-8-33-16)24-13-22(31)20-11-17(26(32)28(2)3)10-18(25(20)35-24)15-29-6-9-34-23-5-4-19(27)12-21(23)29/h4-5,10-13,16H,6-9,14-15H2,1-3H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by lu...				Bioorg Med Chem Lett 26: 2318-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.034 BindingDB Entry DOI: 10.7270/Q2W098ZZ
					More data for this Ligand-Target Pair

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